A study of the inclusion of 1-hexyl-4-(4-pyridyl)pyridinium bromide in cucurbit[6]uril

作者:Meng, Tie-Hong; Zhou, Yang; Gao, Zhong-Zheng; Liu, Qing-Yun*; Tao, Zhu; Xiao, Xin*
来源:Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2018, 90(3-4): 357-363.
DOI:10.1007/s10847-018-0781-5

摘要

Interaction between cucurbit[6]uril (Q[6]) and the guest 1-hexyl-4-(4-pyridyl)pyridinium bromide (HV+) has been investigated by H-1 NMR spectroscopy, mass spectrometry, isothermal titration calorimetry, and single-crystal X-ray diffraction analysis. Experimental results have shown that the host Q[6]) preferentially encapsulates the hexyl moiety of the 1-hexyl-4-(4-pyridyl)pyridinium bromide guest in its hydrophobic cavity to form a 1:1 inclusion complex, both in aqueous solution and in the solid state. This inclusion complex is stabilized through an interplay of hydrogen-bonding and ion-dipole interactions.